2-(2,5-dimethylphenoxy)-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenoxy)-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2,5-dimethylphenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(2,5-dimethylphenoxy)-N-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2,5-dimethylphenoxy)-N-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoyl]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O

InChI

InChI=1S/C22H21N3O4S/c1-13-7-8-14(2)19(9-13)29-12-20(27)23-22(30)25-24-21(28)17-10-15-5-3-4-6-16(15)11-18(17)26/h3-11,26H,12H2,1-2H3,(H,24,28)(H2,23,25,27,30)